4-methylphenol;2-methylpropane

C11H18O — CID 91606636

IUPAC4-methylphenol;2-methylpropane
SMILESCC(C)C.Cc1ccc(O)cc1
InChIInChI=1S/C7H8O.C4H10/c1-6-2-4-7(8)5-3-6;1-4(2)3/h2-5,8H,1H3;4H,1-3H3
InChIKeyGZWSWEPUHQQDAA-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.36
Rot. Bonds

About 4-methylphenol;2-methylpropane

4-methylphenol;2-methylpropane (PubChem CID 91606636) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 4-methylphenol;2-methylpropane.

Molecular Properties

Compound Name4-methylphenol;2-methylpropane
PubChem CID91606636
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name4-methylphenol;2-methylpropane
SMILESCC(C)C.Cc1ccc(O)cc1
InChIInChI=1S/C7H8O.C4H10/c1-6-2-4-7(8)5-3-6;1-4(2)3/h2-5,8H,1H3;4H,1-3H3
InChIKeyGZWSWEPUHQQDAA-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methylphenol
CID 70549076
4-methylphenol;propan-2-ylphosphane
CID 144779899
bis(4-methylphenol);tetrahydrochloride
CID 175346853
4-methylphenol;hydrate
CID 71777661
chromium;bis(4-methylphenol);chloride
CID 172752271
4-[1-(4-methylphenyl)ethyl]phenol
CID 23036862
ethane;4-(4-methylphenyl)phenol
CID 161379556
boric acid;4-methylphenol
CID 67912006
butane;2-methylbutane;4-methylphenol
CID 155694307
4-methylphenol;prop-1-yne
CID 158792009
dichlorotungsten;tris(4-methylphenol);hydrate
CID 153466835
4-methylphenol;pentan-2-ol
CID 159232980

Frequently Asked Questions

What is the IUPAC name of 4-methylphenol;2-methylpropane?
The IUPAC name of 4-methylphenol;2-methylpropane (CID 91606636) is 4-methylphenol;2-methylpropane.
What is the SMILES notation for 4-methylphenol;2-methylpropane?
The canonical SMILES for 4-methylphenol;2-methylpropane is CC(C)C.Cc1ccc(O)cc1.
What is the InChIKey of 4-methylphenol;2-methylpropane?
The InChIKey is GZWSWEPUHQQDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C4H10/c1-6-2-4-7(8)5-3-6;1-4(2)3/h2-5,8H,1H3;4H,1-3H3.
What are the key properties of 4-methylphenol;2-methylpropane?
4-methylphenol;2-methylpropane has a molecular weight of 166.26 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylphenol;2-methylpropane is sourced from PubChem (CID 91606636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).